
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  117 (  950),  selected  116 , name one
# Molecule2: number of CA atoms  116 (  942),  selected  116 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    60      58_B - 117_B       4.67     8.30
  LCS_AVERAGE:     48.29

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    54      64_B - 117_B       1.75     7.62
  LCS_AVERAGE:     37.84

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    40      10_B - 49_B        0.93     8.09
  LCS_AVERAGE:     23.16

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  116
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     T     2_C     T     2_B      3    8   53      0    3    6    8   11   23   28   35   43   46   48   51   60   66   73   78   87   91   95   98 
LCS_GDT     K     3_C     K     3_B      6    8   53      2    4    7    7    8    8   12   14   17   23   37   49   53   55   59   63   85   88   91   95 
LCS_GDT     S     4_C     S     4_B      6   11   53      3    5    7    9   10   18   28   35   43   46   49   52   60   66   75   86   91   95   98   99 
LCS_GDT     K     5_C     K     5_B      6   11   53      3    5    7    9   11   20   28   36   43   46   49   57   63   71   88   93   96   98   98   99 
LCS_GDT     M     6_C     M     6_B      6   43   53      3    5    7    9   14   19   33   43   47   54   64   77   92   94   96   98   98   99  100  101 
LCS_GDT     L     7_C     L     7_B      6   44   53      3    5    8   13   19   28   40   45   55   74   83   94   97   98   98   98  100  100  101  103 
LCS_GDT     S     8_C     S     8_B      6   44   53      3    5    7   10   17   21   30   41   51   74   92   95   97   98   98   99  100  100  101  103 
LCS_GDT     N     9_C     N     9_B     22   44   53      3    6   17   35   45   56   82   90   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     I    10_C     I    10_B     40   44   53      6   31   38   49   63   72   85   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     V    11_C     V    11_B     40   44   53     13   31   38   53   63   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     I    12_C     I    12_B     40   44   53     18   31   38   53   64   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     Q    13_C     Q    13_B     40   44   53     18   31   38   53   65   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     E    14_C     E    14_B     40   44   53     18   31   38   53   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     V    15_C     V    15_B     40   44   53     18   31   38   53   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     K    16_C     K    16_B     40   44   53     18   31   38   53   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     F    17_C     F    17_B     40   44   53     18   31   39   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     A    18_C     A    18_B     40   44   53      8   31   39   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     I    19_C     I    19_B     40   44   53     18   31   40   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     E    20_C     E    20_B     40   44   53     14   31   39   53   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     D    21_C     D    21_B     40   44   53      3    5   34   40   55   72   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     Y    22_C     Y    22_B     40   44   53      5   27   38   53   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     C    23_C     C    23_B     40   44   53     17   31   40   53   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     A    24_C     A    24_B     40   44   53     18   31   40   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     I    25_C     I    25_B     40   44   53     18   31   40   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     L    26_C     L    26_B     40   44   53     18   31   38   53   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     S    27_C     S    27_B     40   44   53     18   31   38   53   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     F    28_C     F    28_B     40   44   53     18   31   38   53   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     A    29_C     A    29_B     40   44   53     18   31   38   53   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     S    30_C     S    30_B     40   44   53     17   31   38   53   65   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     D    31_C     D    31_B     40   44   53     11   31   38   53   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     S    32_C     S    32_B     40   44   53     12   27   37   53   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     Y    33_C     Y    33_B     40   44   53     12   21   38   53   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     E    34_C     E    34_B     40   44   53     12   21   39   53   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     V    35_C     V    35_B     40   44   53     12   31   38   53   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     P    36_C     P    36_B     40   44   53     18   31   38   53   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     E    37_C     E    37_B     40   44   53     18   31   38   53   63   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     Q    38_C     Q    38_B     40   44   53     17   31   38   53   63   76   85   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     Y    39_C     Y    39_B     40   44   53     16   28   37   49   63   74   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     F    40_C     F    40_B     40   44   53     16   31   38   53   63   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     I    41_C     I    41_B     40   44   53     18   31   38   53   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     I    42_C     I    42_B     40   44   53     18   31   38   53   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     T    43_C     T    43_B     40   44   53     18   31   39   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     R    44_C     R    44_B     40   44   53     16   31   42   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     S    45_C     S    45_B     40   44   53     17   31   40   53   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     T    46_C     T    46_B     40   44   53     17   31   38   53   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     T    47_C     T    47_B     40   44   53     17   31   38   53   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     E    48_C     E    48_B     40   44   53      3   27   37   41   52   69   85   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     R    49_C     R    49_B     40   44   53      3    4   25   40   55   72   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     S    50_C     S    50_B      4   44   53      3    3   23   38   56   74   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     G    51_C     G    51_B      7   44   53     11   32   46   54   62   73   82   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     G    52_C     G    52_B      7    9   53      3    5    8   19   32   41   50   54   61   82   89   95   97   98   98   99  100  100  101  103 
LCS_GDT     I    53_C     I    53_B      7    9   53      3    5    7    9   12   17   22   34   42   48   52   55   56   61   67   74   89   98  101  103 
LCS_GDT     P    54_C     P    54_B      7    9   53      3    5    7    9   11   15   20   26   38   45   51   55   56   57   63   74   78   94  101  103 
LCS_GDT     E    55_C     E    55_B      7    9   51      3    4    7    9   11   12   13   17   19   24   28   36   42   47   53   56   59   60   64   82 
LCS_GDT     G    56_C     G    56_B      7    9   19      3    5    7    9   11   12   13   16   17   19   21   24   26   31   35   39   43   48   52   56 
LCS_GDT     D    57_C     D    57_B      7   10   19      3    5    7    9   11   12   13   16   17   19   21   24   26   29   34   36   40   45   50   54 
LCS_GDT     I    58_C     I    58_B      5   10   60      3    4    5    8    9   12   13   16   17   19   21   24   26   29   34   39   43   49   54   59 
LCS_GDT     Y    59_C     Y    59_B      6   10   60      3    6    6    8    9   12   13   16   17   18   21   24   26   29   34   36   42   45   52   56 
LCS_GDT     L    60_C     L    60_B      6   10   60      4    6    6    8    9   12   13   16   17   19   21   24   33   36   43   52   59   62   84  103 
LCS_GDT     E    61_C     E    61_B      6   10   60      4    6    6    8    9   12   12   15   17   20   28   36   46   51   55   58   65   77   84  102 
LCS_GDT     S    62_C     S    62_B      6   10   60      4    6    7    8   11   14   24   32   42   47   53   57   66   72   81   95   97  100  101  103 
LCS_GDT     N    63_C     N    63_B      6   10   60      4    6    6    8    9   14   21   26   34   42   45   51   62   66   75   78   90   98  100  103 
LCS_GDT     L    64_C     L    64_B      6   54   60      4    6    7   10   20   37   56   63   67   71   86   93   97   98   98   99  100  100  101  103 
LCS_GDT     F    65_C     F    65_B      4   54   60      3    4    5    9   11   13   26   42   64   70   77   92   96   98   98   99  100  100  101  103 
LCS_GDT     L    66_C     L    66_B     24   54   60      3    6   46   55   64   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     D    67_C     D    67_B     32   54   60      4   33   46   55   63   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     F    68_C     F    68_B     32   54   60     11   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     N    69_C     N    69_B     32   54   60      9   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     P    70_C     P    70_B     32   54   60      3   17   43   55   62   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     Y    71_C     Y    71_B     32   54   60     12   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     G    72_C     G    72_B     32   54   60     19   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     L    73_C     L    73_B     32   54   60     19   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     S    74_C     S    74_B     32   54   60     19   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     G    75_C     G    75_B     32   54   60     19   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     Y    76_C     Y    76_B     32   54   60     19   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     L    77_C     L    77_B     32   54   60     19   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     L    78_C     L    78_B     32   54   60     19   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     S    79_C     S    79_B     32   54   60      7   13   46   55   64   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     E    80_C     E    80_B     32   54   60      2   17   46   55   64   76   84   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     P    81_C     P    81_B     32   54   60      3   14   32   48   58   65   76   84   91   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     N    82_C     N    82_B     32   54   60     14   35   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     C    83_C     C    83_B     32   54   60     19   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     V    84_C     V    84_B     32   54   60     19   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     D    85_C     D    85_B     32   54   60     19   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     L    86_C     L    86_B     32   54   60     19   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     L    87_C     L    87_B     32   54   60     19   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     I    88_C     I    88_B     32   54   60     16   32   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     E    89_C     E    89_B     32   54   60     16   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     P    90_C     P    90_B     32   54   60      3   15   36   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     N    91_C     N    91_B     32   54   60      9   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     N    92_C     N    92_B     32   54   60     19   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     Y    93_C     Y    93_B     32   54   60     19   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     V    94_C     V    94_B     32   54   60     19   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     R    95_C     R    95_B     32   54   60     19   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     L    96_C     L    96_B     32   54   60     19   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     R    97_C     R    97_B     32   54   60     19   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     L    98_C     L    98_B     32   54   60     19   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     I    99_C     I    99_B     29   54   60      3   30   41   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     E   100_C     E   100_B      9   54   60      3   12   38   53   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     K   101_C     K   101_B     16   54   60      4   37   46   55   62   71   80   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     I   102_C     I   102_B     16   54   60      8   37   46   55   63   75   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     D   103_C     D   103_B     16   54   60     12   37   46   55   64   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     I   104_C     I   104_B     16   54   60     12   37   46   55   64   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     L   105_C     L   105_B     16   54   60     12   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     E   106_C     E   106_B     16   54   60     19   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     V   107_C     V   107_B     16   54   60     19   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     E   108_C     E   108_B     16   54   60     19   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     N   109_C     N   109_B     16   54   60     19   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     H   110_C     H   110_B     16   54   60     19   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     L   111_C     L   111_B     16   54   60     18   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     K   112_C     K   112_B     16   54   60     16   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     F   113_C     F   113_B     16   54   60     16   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     L   114_C     L   114_B     16   54   60     12   37   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     F   115_C     F   115_B     16   54   60     11   33   46   55   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     D   116_C     D   116_B     16   54   60      3   21   40   53   67   76   86   92   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_GDT     N   117_C     N   117_B     16   54   60      3    3   19   40   47   64   79   89   94   94   95   95   97   98   98   99  100  100  101  103 
LCS_AVERAGE  LCS_A:  36.43  (  23.16   37.84   48.29 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     19     37     46     55     67     76     86     92     94     94     95     95     97     98     98     99    100    100    101    103 
GDT PERCENT_AT  16.38  31.90  39.66  47.41  57.76  65.52  74.14  79.31  81.03  81.03  81.90  81.90  83.62  84.48  84.48  85.34  86.21  86.21  87.07  88.79
GDT RMS_LOCAL    0.29   0.64   0.83   1.21   1.62   1.82   2.10   2.26   2.34   2.34   2.40   2.40   2.67   2.80   2.80   2.91   3.04   3.04   3.25   3.84
GDT RMS_ALL_AT   7.45   7.48   7.51   7.49   7.53   7.50   7.47   7.46   7.44   7.44   7.45   7.45   7.40   7.46   7.46   7.43   7.40   7.40   7.40   7.35

# Checking swapping
#   possible swapping detected:  E    20_C      E    20_B
#   possible swapping detected:  D    21_C      D    21_B
#   possible swapping detected:  Y    22_C      Y    22_B
#   possible swapping detected:  D    31_C      D    31_B
#   possible swapping detected:  Y    33_C      Y    33_B
#   possible swapping detected:  E    37_C      E    37_B
#   possible swapping detected:  F    40_C      F    40_B
#   possible swapping detected:  E    55_C      E    55_B
#   possible swapping detected:  D    57_C      D    57_B
#   possible swapping detected:  Y    59_C      Y    59_B
#   possible swapping detected:  E    61_C      E    61_B
#   possible swapping detected:  D    67_C      D    67_B
#   possible swapping detected:  F    68_C      F    68_B
#   possible swapping detected:  Y    71_C      Y    71_B
#   possible swapping detected:  E    80_C      E    80_B
#   possible swapping detected:  D    85_C      D    85_B
#   possible swapping detected:  Y    93_C      Y    93_B
#   possible swapping detected:  E   100_C      E   100_B
#   possible swapping detected:  D   103_C      D   103_B
#   possible swapping detected:  E   108_C      E   108_B
#   possible swapping detected:  F   115_C      F   115_B
#   possible swapping detected:  D   116_C      D   116_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T     2_C      T     2_B    21.194     0    0.541   0.582    23.534    0.000    0.000
LGA    K     3_C      K     3_B    22.389     0    0.168   0.620    29.913    0.000    0.000
LGA    S     4_C      S     4_B    17.884     0    0.091   0.841    19.727    0.000    0.000
LGA    K     5_C      K     5_B    15.665     0    0.056   0.902    20.179    0.000    0.000
LGA    M     6_C      M     6_B    11.682     0    0.041   0.541    13.025    0.000    0.000
LGA    L     7_C      L     7_B     9.218     0    0.653   0.540    12.080    7.500    3.929
LGA    S     8_C      S     8_B     8.174     0    0.060   0.591     9.959    4.881    3.413
LGA    N     9_C      N     9_B     5.088     0    0.104   0.918     6.176   29.048   26.488
LGA    I    10_C      I    10_B     3.902     0    0.055   0.715     4.422   41.786   44.226
LGA    V    11_C      V    11_B     3.344     0    0.052   0.061     3.531   50.119   51.088
LGA    I    12_C      I    12_B     3.177     0    0.013   0.123     3.350   50.000   50.000
LGA    Q    13_C      Q    13_B     2.930     0    0.025   1.068     4.008   57.143   54.127
LGA    E    14_C      E    14_B     2.339     0    0.018   0.552     2.581   62.857   63.915
LGA    V    15_C      V    15_B     2.271     0    0.019   0.037     2.706   64.762   63.673
LGA    K    16_C      K    16_B     1.755     0    0.050   0.453     2.199   72.857   75.820
LGA    F    17_C      F    17_B     1.600     0    0.027   0.083     1.726   72.857   72.857
LGA    A    18_C      A    18_B     1.518     0    0.047   0.066     1.734   77.143   76.286
LGA    I    19_C      I    19_B     1.266     0    0.033   0.070     2.043   81.429   76.131
LGA    E    20_C      E    20_B     1.587     0    0.129   0.279     3.972   67.262   59.471
LGA    D    21_C      D    21_B     3.482     0    0.331   0.326     6.692   59.167   40.536
LGA    Y    22_C      Y    22_B     2.248     0    0.024   0.115     2.932   69.048   64.325
LGA    C    23_C      C    23_B     1.128     0    0.057   0.069     1.475   83.690   87.540
LGA    A    24_C      A    24_B     0.889     0    0.023   0.028     0.950   90.476   90.476
LGA    I    25_C      I    25_B     1.113     0    0.037   0.079     1.369   83.690   82.560
LGA    L    26_C      L    26_B     1.811     0    0.028   0.094     3.089   72.976   65.119
LGA    S    27_C      S    27_B     1.865     0    0.016   0.111     2.133   68.810   71.587
LGA    F    28_C      F    28_B     2.573     0    0.089   0.123     3.091   59.048   55.887
LGA    A    29_C      A    29_B     2.273     0    0.006   0.008     2.554   62.857   64.857
LGA    S    30_C      S    30_B     2.890     0    0.012   0.068     3.133   55.357   54.762
LGA    D    31_C      D    31_B     2.505     0    0.026   0.395     2.989   62.976   62.976
LGA    S    32_C      S    32_B     1.947     0    0.058   0.671     4.899   70.833   63.254
LGA    Y    33_C      Y    33_B     1.476     0    0.034   0.511     3.852   79.286   66.310
LGA    E    34_C      E    34_B     1.358     0    0.064   0.699     2.015   77.143   76.720
LGA    V    35_C      V    35_B     1.947     0    0.063   0.064     2.319   70.833   68.231
LGA    P    36_C      P    36_B     2.115     0    0.014   0.253     2.755   62.976   66.054
LGA    E    37_C      E    37_B     3.152     0    0.014   0.281     4.035   50.119   47.884
LGA    Q    38_C      Q    38_B     3.519     0    0.039   0.384     4.762   48.333   40.899
LGA    Y    39_C      Y    39_B     3.486     0    0.027   0.176     3.670   46.667   48.889
LGA    F    40_C      F    40_B     2.939     0    0.058   1.290     5.440   57.262   48.398
LGA    I    41_C      I    41_B     2.251     0    0.019   0.123     2.479   64.762   64.762
LGA    I    42_C      I    42_B     2.167     0    0.047   0.089     3.179   70.952   65.060
LGA    T    43_C      T    43_B     1.490     0    0.025   0.201     1.914   79.286   77.755
LGA    R    44_C      R    44_B     0.872     0    0.035   0.293     2.973   90.476   78.701
LGA    S    45_C      S    45_B     1.152     0    0.009   0.071     1.450   81.429   81.429
LGA    T    46_C      T    46_B     1.764     0    0.053   0.901     3.309   72.857   72.109
LGA    T    47_C      T    47_B     2.137     0    0.087   0.080     3.343   59.167   61.633
LGA    E    48_C      E    48_B     3.850     0    0.113   0.332     8.306   55.833   32.910
LGA    R    49_C      R    49_B     3.640     0    0.028   1.037    14.045   45.000   20.390
LGA    S    50_C      S    50_B     3.094     0    0.489   0.439     5.713   65.714   53.571
LGA    G    51_C      G    51_B     4.085     0    0.219   0.219     7.131   32.262   32.262
LGA    G    52_C      G    52_B     9.751     0    0.043   0.043    11.463    2.619    2.619
LGA    I    53_C      I    53_B    15.920     0    0.109   0.209    20.792    0.000    0.000
LGA    P    54_C      P    54_B    15.773     0    0.059   0.189    19.575    0.000    0.000
LGA    E    55_C      E    55_B    19.564     0    0.061   0.763    20.838    0.000    0.000
LGA    G    56_C      G    56_B    24.954     0    0.057   0.057    24.954    0.000    0.000
LGA    D    57_C      D    57_B    24.519     0    0.012   0.078    29.395    0.000    0.000
LGA    I    58_C      I    58_B    20.456     0    0.059   1.115    21.584    0.000    0.000
LGA    Y    59_C      Y    59_B    21.030     0    0.092   1.250    25.879    0.000    0.000
LGA    L    60_C      L    60_B    16.549     0    0.081   1.438    18.216    0.000    0.000
LGA    E    61_C      E    61_B    16.593     0    0.043   0.162    23.204    0.000    0.000
LGA    S    62_C      S    62_B    12.193     0    0.006   0.055    14.006    0.000    0.873
LGA    N    63_C      N    63_B    13.983     0    0.632   1.053    16.993    0.000    0.000
LGA    L    64_C      L    64_B     8.135     0    0.055   1.132     9.759    3.214   18.869
LGA    F    65_C      F    65_B     8.888     0    0.131   0.932    17.740   10.000    3.636
LGA    L    66_C      L    66_B     3.300     0    0.668   1.361     5.102   49.524   47.500
LGA    D    67_C      D    67_B     3.505     0    0.349   1.087     4.293   56.310   53.333
LGA    F    68_C      F    68_B     2.493     0    0.063   0.058     3.526   55.476   56.061
LGA    N    69_C      N    69_B     2.857     0    0.075   0.117     4.093   62.976   54.940
LGA    P    70_C      P    70_B     3.258     0    0.049   0.211     4.375   55.476   47.619
LGA    Y    71_C      Y    71_B     2.622     0    0.146   0.137     6.211   60.952   40.873
LGA    G    72_C      G    72_B     1.092     0    0.121   0.121     1.474   81.429   81.429
LGA    L    73_C      L    73_B     1.459     0    0.023   1.291     3.180   75.119   71.190
LGA    S    74_C      S    74_B     1.974     0    0.018   0.029     2.164   70.833   70.159
LGA    G    75_C      G    75_B     1.359     0    0.021   0.021     1.558   79.286   79.286
LGA    Y    76_C      Y    76_B     1.117     0    0.022   0.124     1.537   79.286   82.976
LGA    L    77_C      L    77_B     1.608     0    0.039   1.354     3.488   75.000   72.143
LGA    L    78_C      L    78_B     2.117     0    0.181   1.041     4.512   64.881   63.869
LGA    S    79_C      S    79_B     3.385     0    0.639   0.754     5.814   42.976   50.556
LGA    E    80_C      E    80_B     3.514     0    0.059   0.988     7.485   34.167   31.534
LGA    P    81_C      P    81_B     5.494     0    0.104   0.433     8.602   30.476   20.748
LGA    N    82_C      N    82_B     1.990     0    0.089   0.641     4.723   67.143   60.833
LGA    C    83_C      C    83_B     1.998     0    0.005   0.083     2.589   70.833   67.540
LGA    V    84_C      V    84_B     1.694     0    0.031   0.072     1.980   77.143   75.306
LGA    D    85_C      D    85_B     1.238     0    0.023   0.100     1.792   81.429   78.214
LGA    L    86_C      L    86_B     0.853     0    0.024   0.089     1.240   90.476   88.214
LGA    L    87_C      L    87_B     1.181     0    0.018   0.112     1.891   81.429   79.286
LGA    I    88_C      I    88_B     1.682     0    0.612   0.658     4.248   64.048   71.667
LGA    E    89_C      E    89_B     1.030     0    0.062   0.932     8.847   66.190   40.423
LGA    P    90_C      P    90_B     2.416     0    0.062   0.376     4.514   66.905   56.054
LGA    N    91_C      N    91_B     0.732     0    0.023   0.771     2.929   88.214   80.774
LGA    N    92_C      N    92_B     0.832     0    0.103   0.139     1.261   85.952   90.595
LGA    Y    93_C      Y    93_B     1.170     0    0.014   0.178     2.148   81.429   75.794
LGA    V    94_C      V    94_B     1.330     0    0.032   0.149     1.469   81.429   81.429
LGA    R    95_C      R    95_B     1.684     0    0.032   0.116     2.139   72.857   68.442
LGA    L    96_C      L    96_B     1.941     0    0.088   0.132     2.190   68.810   70.833
LGA    R    97_C      R    97_B     2.101     0    0.061   1.014     5.353   64.762   57.273
LGA    L    98_C      L    98_B     2.163     0    0.025   0.226     3.243   68.810   61.190
LGA    I    99_C      I    99_B     1.419     0    0.645   1.614     5.029   71.429   60.655
LGA    E   100_C      E   100_B     1.509     0    0.645   0.878     9.516   81.548   44.339
LGA    K   101_C      K   101_B     4.204     0    0.575   0.430    13.773   46.905   23.545
LGA    I   102_C      I   102_B     3.533     0    0.109   0.167     3.671   46.667   45.833
LGA    D   103_C      D   103_B     3.239     0    0.037   0.086     3.493   53.571   51.786
LGA    I   104_C      I   104_B     2.773     0    0.023   0.637     3.763   60.952   55.536
LGA    L   105_C      L   105_B     2.166     0    0.025   0.238     3.961   70.952   61.488
LGA    E   106_C      E   106_B     1.269     0    0.021   0.743     2.554   79.286   78.783
LGA    V   107_C      V   107_B     1.541     0    0.018   0.033     2.278   77.143   74.150
LGA    E   108_C      E   108_B     1.239     0    0.029   0.157     2.104   85.952   78.730
LGA    N   109_C      N   109_B     0.824     0    0.020   0.153     1.618   90.476   86.012
LGA    H   110_C      H   110_B     0.949     0    0.049   0.198     1.604   88.214   83.286
LGA    L   111_C      L   111_B     0.791     0    0.010   0.144     1.169   90.476   89.345
LGA    K   112_C      K   112_B     0.898     0    0.030   0.477     1.417   85.952   87.460
LGA    F   113_C      F   113_B     1.184     0    0.076   0.093     1.671   79.286   80.649
LGA    L   114_C      L   114_B     1.088     0    0.036   0.107     1.388   81.429   81.429
LGA    F   115_C      F   115_B     1.112     0    0.144   0.155     2.021   81.429   77.576
LGA    D   116_C      D   116_B     1.114     0    0.599   0.683     5.566   77.143   58.631
LGA    N   117_C      N   117_B     4.665     0    0.268   1.104     9.709   40.357   26.310

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      116     464    464  100.00     942    942  100.00               116
SUMMARY(RMSD_GDC):     7.071          7.001                  7.508           55.569   51.973

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  116    4.0     92    2.26    60.991    58.470     3.905

LGA_LOCAL      RMSD:   2.256  Number of atoms:   92  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.459  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:   7.071  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.274764 * X  +   0.938776 * Y  +  -0.207858 * Z  + -18.939802
  Y_new =   0.801946 * X  +   0.104483 * Y  +  -0.588189 * Z  + -14.516194
  Z_new =  -0.530460 * X  +  -0.328304 * Y  +  -0.781555 * Z  +  -3.232720 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.900883  0.559143 -2.743909   [DEG:  108.9126   32.0365 -157.2144 ]
ZXZ: -0.339689  2.467951 -2.125001   [DEG:  -19.4627  141.4032 -121.7536 ]
 
# END of job
